chempirical

2,3-Dimethoxybenzonitrile

C9H9NO2CAS 5653-62-3163.18 g/mol

Open in Covalent MOL file
ONO
EtherNitrile

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
47 °C
Boiling point
195 °C (at 2 Torr)
logP
1.58Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5653-62-3
SMILES
COc1cccc(C#N)c1OC
InChIKey
LBXGBNHUNHWYRM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,1-2H3

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Names and synonyms

3 names
  • Benzonitrile, 2,3-dimethoxy-
  • o-Veratronitrile
  • NSC 27018

Work with 2,3-Dimethoxybenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxybenzonitrile6609-56-971 % similar 2,3,4-Trimethoxybenzonitrile43020-38-870 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-562 % similar 1,2,3-Trimethoxybenzene634-36-659 % similar 4-Methoxy-1-naphthalenecarbonitrile5961-55-753 % similar 2,3-Dimethoxytoluene4463-33-650 % similar 5-Chloro-2-methoxybenzonitrile55877-79-750 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

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